(Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine

C9H16FN — CID 129209760

IUPAC(Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine
SMILESCC/C=C\C(=C/C(C)F)CN
InChIInChI=1S/C9H16FN/c1-3-4-5-9(7-11)6-8(2)10/h4-6,8H,3,7,11H2,1-2H3/b5-4-,9-6+
InChIKeyXYLWWCSNNKGTKL-KMOPYBJPSA-N
MW157.23 g/mol
LogP2.20
Rot. Bonds4

About (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine

(Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine (PubChem CID 129209760) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine
PubChem CID129209760
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine
SMILESCC/C=C\C(=C/C(C)F)CN
InChIInChI=1S/C9H16FN/c1-3-4-5-9(7-11)6-8(2)10/h4-6,8H,3,7,11H2,1-2H3/b5-4-,9-6+
InChIKeyXYLWWCSNNKGTKL-KMOPYBJPSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine?
The IUPAC name of (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine (CID 129209760) is (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine.
What is the SMILES notation for (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine?
The canonical SMILES for (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine is CC/C=C\C(=C/C(C)F)CN.
What is the InChIKey of (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine?
The InChIKey is XYLWWCSNNKGTKL-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-5-9(7-11)6-8(2)10/h4-6,8H,3,7,11H2,1-2H3/b5-4-,9-6+.
What are the key properties of (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine?
(Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine is sourced from PubChem (CID 129209760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).